Repository data for "Strong-coupling induced damping of spin-echo modulations in magic-angle- spinning NMR: implications for J coupling measurements in disordered solids"

Authors: Paul Guerry, Steven P. Brown and Mark E. Smith


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List of files

Filename				Description

expData_pCOSY.tgz			Pseudo-COSY REINE data from the CdP glass in Matlab format.
					Data for each peak saved separately.
					The values of tau_j/2 corresponding to each file (numbered 1–11) are respectively 0.8, 3.6, 7.2, 10.8, 14.4, 18.0, 25.2, 28.8, 32.4, 36.0, and 39.6 ms. 

expData_pCOSY_p.tgz			Pseudo-COSY REINE data from the CdP glass in text format.
					Data for each peak saved separately.
					The values of tau_j/2 (in ms) corresponding to each row appear in the first column of the text file. 
					The coordinates of the point are shown in the first row of the corresponding column.

expData_REINE.tgz			REINE data from the CdP glass in Matlab format.
					The values of tau_j/2 corresponding to each file (numbered 1–11) are respectively 0.8, 3.6, 7.2, 10.8, 14.4, 18.0, 25.2, 28.8, 32.4, 36.0, and 39.6 ms.


expData_SE.tgz				Spin-echo data from the CdP glass in Matlab format and as text file.
					The values of tau_j/2 (in ms) corresponding to each row appear in the first column of the text file. 


fig02a–f.tgz				Simpson input files (001–051.in)
					High resolution FID (python_fid.txt, tauj/2 [ms] in first column)
					Low resolution FID (python_fid_lowRes.txt, tauj/2 [ms] in first column)


fig03a–h.tgz				Simpson input files (001–051.in)
					High resolution FID (python_fid.txt, tauj/2 [ms] in first column)
					Low resolution FID (python_fid_lowRes.txt, tauj/2 [ms] in first column)


fig04.txt				Table of column numbers for the data used to produce Fig. 4.



fig05a–h.tgz				Simpson input files (001–051.in)
					High resolution FID (python_fid.txt, tauj/2 [ms] in first column)
					Low resolution FID (python_fid_lowRes.txt, tauj/2 [ms] in first column)


fig06.txt				Table of column numbers for the data used to produce Fig. 6.



Jfit_module_p1.py			Python module containing the fitting functions used for the P1 spin-echo peak.
Jfit_module_p1p1.py			Ditto for the P1P1 REINE peak.
Jfit_module_p1p2.py			Ditto for the P1P2 REINE peak.
Jfit_module_p2p1.py			Ditto for the P2P1 REINE peak.
Jfit_module_p2p2.py			Ditto for the P2P2 REINE peak.



loadCut2dMatlab_jFit.py			Python script that loads the experimental data (in 11 separate files, see expData_pCOSY_p.tgz),
					then calls the function "findBestFuncByAIC" in the module "Jfit_module" for each pixel
					and stores the result.